MolNFT v1 · #112961 · protein
Human CDK2 with type II inhibitor
5A14 · Cyclin-dependent kinase 2: “Human CDK2 with type II inhibitor”. X-ray diffraction, 2 ligands (LQ5, ACE), 2 pockets (best druggability 0.76). MolNFT v1 #112961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5A14
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-dependent kinase 2
- EC
- 2.7.11.22, 2.7.11.1
- UniProt
- P24941
- Ligands
- LQ5, ACE
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22, 2.7.11.1) | protein | 284 | 34% helix, 17% strand | P24941 |
Ligands and binding sites
- LQ5 · 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea · ligand · 2 copies · chains A
- ACE · Acetyl group · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 358 | 0.76 | 0.86 | 39 | LQ5 |
| 2 | 55 | 0.26 | 0.73 | 19 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P24941
- Elsewhere: RCSB PDB 5A14 · PDBe 5A14 · UniProt P24941
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